6IVX
Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E, G (A, C, E, G) | Nuclear receptor ROR-gamma | polymer | 258 | 29754.3 | 4 | UniProt (P51449) Pfam (PF00104) | Homo sapiens (Human) | Retinoid-related orphan receptor-gamma |
| 2 | B, D, F, H (B, D, F, H) | Nuclear receptor corepressor 2 | polymer | 22 | 2600.0 | 4 | UniProt (Q9Y618) | Homo sapiens (Human) | SMRT |
| 3 | I, J, K, L (A, C, E, G) | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid | non-polymer | 534.4 | 4 | Chemie (AYO) | |||
| 4 | M, N, O, P, Q (A, C, E, F, G) | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A, C, E, G: 261 - 518 (UniProt: P51449)
| PDB | External Database | Details |
|---|---|---|
| Ala 469 | Lys 469 | engineered mutation |
| Ala 473 | Arg 473 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 129417.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2137.7 | |
| All* | Total formula weight | 131554.9 |
